Dear SIESTA developers, I get the following error in a transiesta calculation with command transiesta <aa.fdf> aa.out: Segmentation fault.
I have check the out file, it end with the following messages: New_DM. Step: 1 Initializing Density Matrix... TRANSIESTA: No TS-DensityMatrix file found TRANSIESTA: Initialization runs using diagon InitMesh: MESH = 240 x 240 x 120 = 6912000 InitMesh: Mesh cutoff (required, used) = 350.000 360.982 Ry Why not have TS-DensityMatrix file ? I use the parameters of Fast example in transiesta/Scat except some necessary correction. before this calculation, i have run the Fast examples successfully. Would you help me in this?
